@MOLECULE corynanthine 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4363 0.4556 -2.2069 O.3 1 UNL1111111111 -0.5505 2 O 4.0526 -2.4148 0.4961 O.3 1 UNL1111111111 -0.4309 3 O 2.3120 -1.4792 1.5481 O.2 1 UNL1111111111 -0.4853 4 N -0.3311 1.7872 0.5056 N.3 1 UNL1111111111 -0.4242 5 N -2.5013 -0.8257 -1.1053 N.ar 1 UNL1111111111 -0.3925 6 C 1.8577 0.3267 -0.7134 C.3 1 UNL1111111111 -0.0938 7 C 2.0943 1.4116 0.3545 C.3 1 UNL1111111111 -0.1277 8 C 0.4720 -0.2968 -0.4962 C.3 1 UNL1111111111 -0.3071 9 C -0.5950 0.8150 -0.5976 C.3 1 UNL1111111111 0.0555 10 C 2.9778 -0.7263 -0.6936 C.3 1 UNL1111111111 -0.2656 11 C 0.9653 2.4666 0.2855 C.3 1 UNL1111111111 -0.1243 12 C 3.4515 2.0953 0.1423 C.3 1 UNL1111111111 -0.2837 13 C 4.3558 -0.0405 -0.8934 C.3 1 UNL1111111111 0.1708 14 C 4.5901 1.0713 0.1358 C.3 1 UNL1111111111 -0.3356 15 C -1.9764 0.2763 -0.4222 C.ar 1 UNL1111111111 0.0590 16 C -1.4391 2.7597 0.6742 C.3 1 UNL1111111111 -0.1031 17 C -2.9514 0.8360 0.3886 C.ar 1 UNL1111111111 -0.1012 18 C -2.6797 2.0162 1.2304 C.3 1 UNL1111111111 -0.2498 19 C 3.0181 -1.5286 0.5777 C.2 1 UNL1111111111 0.5946 20 C -4.1422 0.0539 0.2373 C.ar 1 UNL1111111111 -0.0769 21 C -3.8274 -0.9875 -0.6987 C.ar 1 UNL1111111111 0.1120 22 C -5.4282 0.1152 0.7810 C.ar 1 UNL1111111111 -0.1039 23 C -4.7724 -1.9469 -1.0837 C.ar 1 UNL1111111111 -0.2150 24 C -6.3582 -0.8347 0.3979 C.ar 1 UNL1111111111 -0.1977 25 C -6.0329 -1.8529 -0.5233 C.ar 1 UNL1111111111 -0.1170 26 C 4.2379 -3.2640 1.6224 C.3 1 UNL1111111111 -0.1650 27 H 1.8714 0.8061 -1.7258 H 1 UNL1111111111 0.1351 28 H 2.0624 0.9317 1.3665 H 1 UNL1111111111 0.1790 29 H 0.4072 -0.7605 0.5152 H 1 UNL1111111111 0.1957 30 H 0.2789 -1.0971 -1.2258 H 1 UNL1111111111 0.1321 31 H -0.5277 1.3078 -1.6077 H 1 UNL1111111111 0.1247 32 H 2.8225 -1.4351 -1.5513 H 1 UNL1111111111 0.1874 33 H 1.1101 3.2079 1.1020 H 1 UNL1111111111 0.1408 34 H 1.0079 3.0231 -0.6736 H 1 UNL1111111111 0.1096 35 H 3.6263 2.8380 0.9450 H 1 UNL1111111111 0.1436 36 H 3.4526 2.6740 -0.8001 H 1 UNL1111111111 0.1326 37 H 5.1806 -0.7941 -0.8827 H 1 UNL1111111111 0.1557 38 H 5.5515 1.5753 -0.0861 H 1 UNL1111111111 0.1558 39 H 4.7071 0.6260 1.1429 H 1 UNL1111111111 0.1548 40 H -1.7035 3.2793 -0.2701 H 1 UNL1111111111 0.1158 41 H -1.1194 3.5338 1.4030 H 1 UNL1111111111 0.1352 42 H -3.5466 2.7012 1.2738 H 1 UNL1111111111 0.1445 43 H -2.4780 1.6907 2.2760 H 1 UNL1111111111 0.1671 44 H -1.9976 -1.4362 -1.7021 H 1 UNL1111111111 0.3137 45 H 3.8439 1.2243 -2.3333 H 1 UNL1111111111 0.3161 46 H -5.6794 0.8982 1.4915 H 1 UNL1111111111 0.1503 47 H -4.5207 -2.7276 -1.7913 H 1 UNL1111111111 0.1539 48 H -7.3641 -0.8061 0.8096 H 1 UNL1111111111 0.1476 49 H -6.7994 -2.5778 -0.7925 H 1 UNL1111111111 0.1451 50 H 4.4654 -2.6674 2.5119 H 1 UNL1111111111 0.1378 51 H 5.0915 -3.8850 1.3270 H 1 UNL1111111111 0.1441 52 H 3.3416 -3.8712 1.7898 H 1 UNL1111111111 0.1411 @BOND 1 1 13 1 2 1 45 1 3 2 19 1 4 2 26 1 5 3 19 2 6 4 9 1 7 4 11 1 8 4 16 1 9 5 15 ar 10 5 21 ar 11 5 44 1 12 6 7 1 13 6 8 1 14 6 10 1 15 6 27 1 16 7 11 1 17 7 12 1 18 7 28 1 19 8 9 1 20 8 29 1 21 8 30 1 22 9 15 1 23 9 31 1 24 10 13 1 25 10 19 1 26 10 32 1 27 11 33 1 28 11 34 1 29 12 14 1 30 12 35 1 31 12 36 1 32 13 14 1 33 13 37 1 34 14 38 1 35 14 39 1 36 15 17 ar 37 16 18 1 38 16 40 1 39 16 41 1 40 17 18 1 41 17 20 ar 42 18 42 1 43 18 43 1 44 20 21 ar 45 20 22 ar 46 21 23 ar 47 22 24 ar 48 22 46 1 49 23 25 ar 50 23 47 1 51 24 25 ar 52 24 48 1 53 25 49 1 54 26 50 1 55 26 51 1 56 26 52 1